N-butyl-2,2-dimethylcyclopropan-1-amine

C9H19N — CID 61223200

IUPACN-butyl-2,2-dimethylcyclopropan-1-amine
SMILESCCCCNC1CC1(C)C
InChIInChI=1S/C9H19N/c1-4-5-6-10-8-7-9(8,2)3/h8,10H,4-7H2,1-3H3
InChIKeyWLCJACYBFUFPEO-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.17
Rot. Bonds4

About N-butyl-2,2-dimethylcyclopropan-1-amine

N-butyl-2,2-dimethylcyclopropan-1-amine (PubChem CID 61223200) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-butyl-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-butyl-2,2-dimethylcyclopropan-1-amine
PubChem CID61223200
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-butyl-2,2-dimethylcyclopropan-1-amine
SMILESCCCCNC1CC1(C)C
InChIInChI=1S/C9H19N/c1-4-5-6-10-8-7-9(8,2)3/h8,10H,4-7H2,1-3H3
InChIKeyWLCJACYBFUFPEO-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-2,2-dimethylcyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-dimethylcyclopropyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525134
N'-(2,2-dimethylcyclopropyl)-3,3-dimethylhexane-1,6-diamine
CID 65296505
N-butyl-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358985
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 68740612
2,2-dimethyl-N-pent-3-ynylcyclopropan-1-amine
CID 104806676
N-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine
CID 115704494
2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclopropan-1-amine
CID 107911542
3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine
CID 112681822
2,2,3,3-tetramethyl-N-propylcyclobutan-1-amine
CID 91326970
N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65082955
N-(3-methoxy-3-methylbutyl)-2,2-dimethylcyclopropan-1-amine
CID 103033275
N-butyl-2,2,7,7-tetramethylazepan-4-amine
CID 138568123

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of N-butyl-2,2-dimethylcyclopropan-1-amine (CID 61223200) is N-butyl-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for N-butyl-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for N-butyl-2,2-dimethylcyclopropan-1-amine is CCCCNC1CC1(C)C.
What is the InChIKey of N-butyl-2,2-dimethylcyclopropan-1-amine?
The InChIKey is WLCJACYBFUFPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-5-6-10-8-7-9(8,2)3/h8,10H,4-7H2,1-3H3.
What are the key properties of N-butyl-2,2-dimethylcyclopropan-1-amine?
N-butyl-2,2-dimethylcyclopropan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 61223200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).